General Information of the Compound
| Compound ID |
CP0092771
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| Compound Name |
JNK-IN-8
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| Synonyms |
1410880-22-6
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
3-{[(2E)-4-(Dimethylamino)but-2-enoyl]amino}-N-(3-methyl-4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
AKOS030526496
BC600656
BCP09744
BDBM86633
CHEBI:124918
CHEMBL2216824
CS-0601
DTXSID40720937
EX-A2206
GTPL8058
HY-13319
J-007458
JNK Inhibitor XVI
JNK-IN-8
JNK-IN8
MolPort-035-395-752
NCGC00386243-05
SB19427
SCHEMBL14979761
SW219193-1
W-5897
Y1469
ZINC89464842
s4901
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| Structure |
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| Formula |
C29H29N7O2
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| Molecular Weight |
507.598
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
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| InChI |
InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
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| InChIKey |
GJFCSAPFHAXMSF-UXBLZVDNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound